crease_ga.shapes.micelle

class crease_ga.shapes.micelle.scatterer_generator.scatterer_generator(shape_params=[8, 24, 0.5, 0.5, 50.4, 50.4], minvalu=(2, 0, 0), maxvalu=(60, 1, 5))

The wrapper class for micelle shape. Default length unit: Angstrom.

See also

crease_ga.Model.load_shape

Notes

The following 6 shape-specific descriptors are to be specified by user (see *Attributes*) as a list, in the precise order as listed, while calling `Model.load_shape` to load this shape:

num_scatterers:

Number of scatterers per chain (num_scatterers). Default: 8

N:

Number of beads on chain. Default: 24

fA:

fraction of beads that are of chemistry A. Default: 0.5

rho_core:

Density or volume freaction of the solvophobic block. Default: 0.5

lmono_a:

Monomer contour length (diameter) of chemistry B. Default: 50.4 A

lmono_b:

Monomer contour length (diameter) of chemistry A. Default: 50.4 A

The following 3 parameters are to be predicted, in the precise order as listed, by GA:

N_agg:

Aggregation number. Default [min,max]: [2 A, 60 A]

ecorona:

Fraction of the micelle diameter that is occupied by the corona. Default [min,max]: [0,1]

log10(bg):

Negative log10 of Background intensity. E.g. an background intensity of 0.001 leads to this value being 3. Default [min,max]: [0,5]

converttoIQ(qrange, param)

Calculate computed scattering intensity profile.

Parameters:

qrange: numpy.array

q values.

param: numpy.array

Decoded input parameters. See Notes section of the class documentation.

Returns:

IQid: A numpy array holding I(q).